Detailed information for compound 1402930

Basic information

Technical information
  • TDR Targets ID: 1402930
  • Name: 3-[(4-methoxyphenyl)methyl]-2-propan-2-ylthio chromeno[3,2-e]pyrimidine-4,5-dione
  • MW: 392.471 | Formula: C22H20N2O3S
  • H donors: 0 H acceptors: 2 LogP: 3.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)C(C)C
  • InChi: 1S/C22H20N2O3S/c1-13(2)20-23-21-18(19(25)16-6-4-5-7-17(16)28-21)22(26)24(20)12-14-8-10-15(27-3)11-9-14/h4-11,13H,12H2,1-3H3
  • InChiKey: YDRYJDLVEMXMNL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-isopropyl-3-[(4-methoxyphenyl)methyl]thiochromeno[3,2-e]pyrimidine-4,5-dione
  • 2-isopropyl-3-(4-methoxybenzyl)thiochromeno[3,2-e]pyrimidine-4,5-quinone
  • 3-[(4-methoxyphenyl)methyl]-2-propan-2-yl-thiochromeno[3,2-e]pyrimidine-4,5-dione
  • ZINC02445302
  • 2-Isopropyl-3-(4-methoxy-benzyl)-3H-9-thia-1,3-diaza-anthracene-4,10-dione
  • MLS001049222
  • SMR000427768

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni eyes absent homolog 0.0106 0.1112 0.103
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0066 0.0562 0.0475
Loa Loa (eye worm) hypothetical protein 0.0046 0.03 0.0473
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0324 0.4061 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.018 0.0135
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0419 0.0331
Schistosoma mansoni hypothetical protein 0.0205 0.2442 0.2373
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0066 0.0562 0.0546
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0038 0.0188 0.0116
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0143 0.0491
Loa Loa (eye worm) DR-78 0.0031 0.0091 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0188 0.0297
Loa Loa (eye worm) hypothetical protein 0.0035 0.0141 0.0223
Schistosoma mansoni hypothetical protein 0.0205 0.2442 0.2373
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0066 0.0562 0.0475
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0035 0.0141 0.0051
Brugia malayi hypothetical protein 0.0247 0.3017 0.4673
Echinococcus granulosus ecdysone induced protein 78C 0.0066 0.0562 0.0475
Echinococcus multilocularis CREB binding protein 0.0068 0.059 0.0576
Onchocerca volvulus 0.0038 0.018 0.0847
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0038 0.0188 1
Brugia malayi beta-lactamase 0.0038 0.018 0.0143
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0038 0.0188 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0066 0.0562 0.0752
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Brugia malayi hypothetical protein 0.0493 0.6352 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.0143 0.0105
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0066 0.0562 0.0884
Brugia malayi beta-lactamase family protein 0.0038 0.018 0.0143
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0419 0.0331
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0066 0.0562 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0066 0.0562 0.0752
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0066 0.0562 0.0752
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Onchocerca volvulus 0.0038 0.018 0.0847
Echinococcus multilocularis FTZ F1 alpha 0.0066 0.0562 0.0546
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0141 0.008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0419 0.0331
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0066 0.0562 0.0546
Leishmania major protein kinase, putative 0.0038 0.0188 0.0116
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.018 0.0096
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.018 0.0284
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.018 0.009
Leishmania major hypothetical protein, conserved 0.0038 0.018 0.0096
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0324 0.4061 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0066 0.0562 0.0752
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0038 0.0188 0.0297
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.018 0.0374
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0099 0.1011 0.0929
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0324 0.4061 0.4006
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Schistosoma mansoni pyruvate kinase 0.0035 0.0143 0.0052
Plasmodium falciparum pyruvate kinase 0.0035 0.0143 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0066 0.0562 0.0475
Brugia malayi Steroid receptor seven-up type 2 0.0066 0.0562 0.0752
Echinococcus granulosus CREB binding protein 0.0099 0.1011 0.0929
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0141 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0066 0.0562 0.0884
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0141 0.0051
Mycobacterium ulcerans beta-lactamase 0.0038 0.018 0.0374
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0066 0.0562 0.0475
Loa Loa (eye worm) steroid hormone receptor 0.0066 0.0562 0.0884
Echinococcus multilocularis thyroid hormone receptor alpha 0.0066 0.0562 0.0546
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.018 0.0096
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.3017 0.2953
Brugia malayi hypothetical protein 0.0106 0.1112 0.1631
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0376 0.0455
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0284
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0143 0.0083
Schistosoma mansoni CREB-binding protein 2 0.0099 0.1011 0.0929
Mycobacterium tuberculosis Conserved protein 0.0038 0.018 0.0135
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0324 0.4061 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.018 0.0135
Loa Loa (eye worm) hypothetical protein 0.0247 0.3017 0.475
Brugia malayi hypoxia-induced factor 1 0.0455 0.5835 0.9173
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0038 0.0188 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1624 0.2556
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0188 1
Trichomonas vaginalis guanylate cyclase, putative 0.0038 0.0188 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0038 0.0188 0.0116
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Brugia malayi nuclear receptor NHR-88 0.0066 0.0562 0.0752
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0066 0.0562 0.0475
Schistosoma mansoni hypothetical protein 0.0036 0.0153 0.0063
Echinococcus multilocularis aryl hydrocarbon receptor 0.0038 0.0188 0.0153
Echinococcus granulosus pyruvate kinase 0.0035 0.0143 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0066 0.0562 0.0752
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.018 0.0135
Echinococcus multilocularis transcription factor Dp 1 0.0188 0.2212 0.2286
Loa Loa (eye worm) hypothetical protein 0.0035 0.0141 0.0223
Onchocerca volvulus 0.0109 0.1145 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0419 0.0396
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0066 0.0562 0.0546
Schistosoma mansoni pyruvate kinase 0.0035 0.0143 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0066 0.0562 0.0884
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0419 0.0396
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Echinococcus multilocularis pyruvate kinase 0.0035 0.0143 0.0105
Plasmodium vivax hypothetical protein, conserved 0.0038 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1112 0.1751
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.018 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0188 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0035 0.0141 0.0223
Schistosoma mansoni hypothetical protein 0.005 0.0353 0.0265
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0284
Mycobacterium tuberculosis Conserved protein 0.0038 0.018 0.0135
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0284
Brugia malayi steroid hormone receptor 0.0066 0.0562 0.0752
Loa Loa (eye worm) hypothetical protein 0.0035 0.0141 0.0223
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0143 0.0225
Brugia malayi ecdysteroid receptor 0.0066 0.0562 0.0752
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0066 0.0562 0.0752
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0066 0.0562 0.0475
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.018 0.009
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0324 0.4061 0.4235
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0066 0.0562 0.0475
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0066 0.0562 0.0475
Trichomonas vaginalis adenylate cyclase, putative 0.0038 0.0188 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0284
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0066 0.0562 0.0546
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0143 0.0225
Loa Loa (eye worm) CBP-B 0.0069 0.0602 0.0947
Echinococcus granulosus CREB binding protein 0.0061 0.0498 0.041
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0091 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.018 0.8229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0066 0.0562 0.0884
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0143 0.0491
Echinococcus granulosus transcription factor Dp 1 0.0188 0.2212 0.214
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0188 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0066 0.0562 0.0752
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.018 0.8229
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.018 0.8229
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.018 0.009
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0324 0.4061 0.6393
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0066 0.0562 0.0546
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0284
Mycobacterium ulcerans hypothetical protein 0.0038 0.018 0.0374
Brugia malayi hypothetical protein 0.0035 0.0141 0.008
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.018 0.0135
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0066 0.0562 0.0884
Echinococcus granulosus aryl hydrocarbon receptor 0.0038 0.0188 0.0098
Leishmania major protein kinase, putative 0.0038 0.0188 0.0116
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0324 0.4061 0.4006
Echinococcus multilocularis geminin 0.0205 0.2442 0.2529
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Schistosoma mansoni RAR-like nuclear receptor 0.0066 0.0562 0.0475
Loa Loa (eye worm) nuclear receptor NHR-67 0.0031 0.0091 0.0143
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.018 0.0135
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0284
Brugia malayi nuclear hormone receptor 0.0066 0.0562 0.0752
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0066 0.0562 0.0752
Onchocerca volvulus Protein ultraspiracle homolog 0.0066 0.0562 0.4467
Brugia malayi nuclear receptor RXR 0.0035 0.0141 0.008
Echinococcus granulosus single minded 2 0.0109 0.1145 0.1063
Loa Loa (eye worm) hypothetical protein 0.0106 0.1112 0.1751
Giardia lamblia Pyruvate kinase 0.0035 0.0143 0.5
Mycobacterium ulcerans lipase LipD 0.0038 0.018 0.0374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0066 0.0562 0.0884
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.018 0.8229
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0038 0.0188 0.0116
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Onchocerca volvulus 0.0038 0.018 0.0847
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0038 0.0188 0.0098
Echinococcus multilocularis nuclear receptor nhr 48 0.0031 0.0091 0.005
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1624 0.2556
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0419 0.0331
Loa Loa (eye worm) hypoxia-induced factor 1 0.0455 0.5835 0.9185
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0153 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0066 0.0562 0.0752
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0225
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0031 0.0091 0.0143
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0066 0.0562 0.4467
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Brugia malayi TAZ zinc finger family protein 0.0099 0.1011 0.147
Brugia malayi photoreceptor-specific nuclear receptor 0.0066 0.0562 0.0752
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0031 0.0091 0.005
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0038 0.0188 0.0116
Mycobacterium leprae Probable lipase LipE 0.0038 0.018 0.8229
Echinococcus granulosus FTZ F1 alpha 0.0066 0.0562 0.0475
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0038 0.0188 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0376 0.0455
Loa Loa (eye worm) hypothetical protein 0.0493 0.6352 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0066 0.0562 0.0752
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0038 0.0188 1
Mycobacterium leprae Possible regulatory protein 0.0038 0.0188 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.018 0.0143
Trichomonas vaginalis guanylate cyclase, putative 0.0038 0.0188 1
Schistosoma mansoni single-minded 0.0147 0.1662 0.1586
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0419 0.0524
Loa Loa (eye worm) hypothetical protein 0.0052 0.0376 0.0592
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0376 0.0592
Onchocerca volvulus Bile acid receptor homolog 0.0066 0.0562 0.4467
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0066 0.0562 0.0475
Schistosoma mansoni thyroid hormone receptor 0.0066 0.0562 0.0475
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Loa Loa (eye worm) hypothetical protein 0.0066 0.0562 0.0884
Brugia malayi bHLH-PAS transcription factor 0.0109 0.1145 0.1683
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0419 0.0331
Echinococcus multilocularis transfer RNA-Lys 0.0109 0.1145 0.1161
Echinococcus granulosus pyruvate kinase 0.0035 0.0143 0.0052
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0143 0.0083
Schistosoma mansoni steroid hormone receptor ad4bp 0.0066 0.0562 0.0475
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0091 0.005
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.018 0.0374
Mycobacterium leprae conserved hypothetical protein 0.0038 0.018 0.8229
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0066 0.0562 0.0752
Echinococcus multilocularis ecdysone induced protein 78C 0.0066 0.0562 0.0546
Onchocerca volvulus 0.0066 0.0562 0.4467
Onchocerca volvulus 0.0038 0.0188 0.0923
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.018 0.0096
Brugia malayi hypothetical protein 0.0035 0.0141 0.008
Schistosoma mansoni coup transcription factor 0.0066 0.0562 0.0475
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0324 0.4061 1
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.018 0.0135
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0066 0.0562 0.0475
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0324 0.4061 0.634
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.018 0.8229
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0038 0.0188 1
Schistosoma mansoni thyroid hormone receptor 0.0066 0.0562 0.0475
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.018 0.0144
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0324 0.4061 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0147 0.1662 0.1586
Echinococcus granulosus geminin 0.0205 0.2442 0.2373
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0143 0.0491
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.018 0.0135
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.3017 0.3135
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0143 0.0225
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0728 0.9529 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0066 0.0562 0.0546
Loa Loa (eye worm) beta-lactamase 0.0038 0.018 0.0284
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Loa Loa (eye worm) hypothetical protein 0.0035 0.0141 0.0223
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0038 0.0188 0.0153
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0035 0.0141 0.0051
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0038 0.0188 0.0116
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0562 0.0752
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0353 0.0419
Loa Loa (eye worm) hypothetical protein 0.0036 0.0153 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0141 0.0223
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.2926 1
Trichomonas vaginalis esterase, putative 0.0038 0.018 0.8229
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0066 0.0562 0.0752
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0419 0.066
Onchocerca volvulus 0.005 0.0353 0.2489
Brugia malayi MH2 domain containing protein 0.0144 0.1624 0.2448
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0066 0.0562 0.0884
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0066 0.0562 0.0475
Schistosoma mansoni survival motor neuron protein 0.005 0.0353 0.0265
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0038 0.0188 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0066 0.0562 0.0752
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0143
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0038 0.0188 0.0116
Mycobacterium ulcerans putative regulatory protein 0.0109 0.1145 1
Schistosoma mansoni nuclear hormone receptor 0.0066 0.0562 0.0475
Toxoplasma gondii ABC1 family protein 0.0038 0.018 1
Loa Loa (eye worm) nuclear hormone receptor 0.0031 0.0091 0.0143
Brugia malayi beta-lactamase family protein 0.0038 0.018 0.0143
Brugia malayi PAS domain containing protein 0.0147 0.1662 0.251
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0091 0.005
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0035 0.0141 0.0103

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.